3-chloranyl-2-[4-(3,4-dimethylphenoxy)butylamino]benzoic acid

Systemtic Name: 3-chloranyl-2-[4-(3,4-dimethylphenoxy)butylamino]benzoic acid Openeye Name: 3-chloro-2-[4-(3,4-dimethylphenoxy)butylamino]benzoic acid CAS Name: 3-chloro-2-[4-(3,4-dimethylphenoxy)butylamino]benzoic acid IUPAC Name: 3-chloro-2-[4-(3,4-dimethylphenoxy)butylamino]benzoic acid Traditional Name: 3-chloro-2-[4-(3,4-dimethylphenoxy)butylamino]benzoic acid Formula: C19H22ClNO3 MolecularWeight: 347.83588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCCCNC2=C(C=CC=C2Cl)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCCCNC2=C(C=CC=C2Cl)C(=O)O)C

InChI

InChI=1S/C19H22ClNO3/c1-13-8-9-15(12-14(13)2)24-11-4-3-10-21-18-16(19(22)23)6-5-7-17(18)20/h5-9,12,21H,3-4,10-11H2,1-2H3,(H,22,23)